gliotoxin | 7762-12-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: gliotoxin
• 英文别名: (3R)-6t-hydroxy-3-hydroxymethyl-2-methyl-(5at)-2,3,6,10-tetrahydro-5aH-3r,10ac-epidisulfano-pyrazino[1,2-a]indole-1,4-dione；aspergillin；10H-3,10a-Epidithiopyrazino[1,2-a]indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, [3R-(3alpha,5abeta,6beta,10aalpha)]-；7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione
• CAS: 7762-12-1
• 化学式: C₁₃H₁₄N₂O₄S₂
• 分子量: 326.397
• InChiKey: FIVPIPIDMRVLAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF
  申请人：EWHA University-Industry Collaboration Foundation

  公开号：US20160222031A1

  公开（公告）日：2016-08-04

  The present invention relates to an epidithiodioxopiperazine derivative represented by the following Chemical Formula 1 or its reduced derivative; a method for preparing a compound represented by Chemical Formula 1 having improved intracellular permeability and mimicking the activity of 2-Cys-Prx in its reduced form in the cells; a pharmaceutical composition for preventing or treating vascular diseases comprising an epidithiodioxopiperazine compound or its derivatives or pharmaceutically acceptable salts thereof as an active ingredient; a drug delivery device for local administration including the pharmaceutical composition; and a pharmaceutical composition for inhibiting melanoma metastasis comprising the epidithiodioxopiperazine compound or its derivatives or pharmaceutically acceptable salts thereof as an active ingredient.

  本发明涉及以下化学式1所表示的表皮二硫二氧哌嗪衍生物或其还原衍生物；一种制备化学式1所表示的化合物的方法，该方法具有改善细胞内渗透性并在其还原形式下模拟2-Cys-Prx在细胞中的活性；一种预防或治疗血管疾病的制药组合物，包括表皮二硫二氧哌嗪化合物或其衍生物或其药学上可接受的盐作为活性成分；一种用于局部给药的药物递送装置，包括该制药组合物；以及一种抑制黑色素瘤转移的制药组合物，包括表皮二硫二氧哌嗪化合物或其衍生物或其药学上可接受的盐作为活性成分。
• Epidithiodioxopiperazine compound or its derivatives, and the use thereof
  申请人：VASTHERA Co. Ltd.

  公开号：US10450327B2

  公开（公告）日：2019-10-22

  The present invention relates to an epidithiodioxopiperazine derivative represented by the following Chemical Formula 1 or its reduced derivative; a method for preparing a compound represented by Chemical Formula 1 having improved intracellular permeability and mimicking the activity of 2-Cys-Prx in its reduced form in the cells; a pharmaceutical composition for preventing or treating vascular diseases comprising an epidithiodioxopiperazine compound or its derivatives or pharmaceutically acceptable salts thereof as an active ingredient; a drug delivery device for local administration including the pharmaceutical composition; and a pharmaceutical composition for inhibiting melanoma metastasis comprising the epidithiodioxopiperazine compound or its derivatives or pharmaceutically acceptable salts thereof as an active ingredient.

  本发明涉及一种由以下化学式1代表的表二硫代二酮哌嗪衍生物或其还原衍生物；一种制备由化学式1代表的化合物的方法，该化合物具有更好的细胞内渗透性，并能模拟细胞内还原形式的2-Cys-Prx的活性；一种用于预防或治疗血管疾病的药物组合物，其活性成分包括表二硫基二氧代哌嗪化合物或其衍生物或其药学上可接受的盐类；一种用于局部给药的给药装置，其活性成分包括该药物组合物；以及一种用于抑制黑色素瘤转移的药物组合物，其活性成分包括表二硫基二氧代哌嗪化合物或其衍生物或其药学上可接受的盐类。
• PHARMACEUTICAL COMPOSITION COMPRISING EPIDITHIODIOXOPIPERAZINE COMPOUND OR DERIVATIVE THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, FOR PREVENTING OR TREATING PULMONARY HYPERTENSION
  申请人：EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUDATION

  公开号：US20190298732A1

  公开（公告）日：2019-10-03

  The present invention relates to a pharmaceutical composition for preventing or treating pulmonary arterial hypertension, which comprises an epidithiodioxopiperazine (ETP) compound or a derivative thereof, or a pharmaceutically acceptable salt thereof.
• US9765090B2
  申请人：——

  公开号：US9765090B2

  公开（公告）日：2017-09-19
• [EN] PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESTENOSIS COMPRISING EPIDITHIODIOXOPIPERAZINE COMPOUNDS OR DERIVATIVES THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF<br/>[FR] COMPOSITION PHARMACEUTIQUE DE PRÉVENTION OU DE TRAITEMENT DE LA RESTÉNOSE COMPRENANT DES COMPOSÉS ÉPIDITHIODIOXOPIPÉRAZINE OU LEURS DÉRIVÉS, OU LEURS SELS PHARMACEUTIQUEMENT ACCEPTABLES
  申请人：UNIV EWHA IND COLLABORATION

  公开号：WO2013077709A1

  公开（公告）日：2013-05-30

  본 발명은 에피디티오디옥소피페라진(epidithiodioxopiperazine; ETP) 화합물 또는 이의 유도체; 또는 이들의 약학적으로 허용가능한 염을 포함하는 것을 특징으로 하는 혈관재협착의 예방 또는 치료용 약학적 조성물에 관한 것이다. 본 발명의 에피디티오디옥소피페라진 화합물 또는 이의 유도체들은 손상된 혈관에서 2-Cys-Prx 중 특히 PrxⅡ의 기능을 모방하여 PDGF-유도 혈관평활근세포의 이동 및 증식을 억제하여 혈관내막 비후를 저해하는 한편, VEGF-유도 혈관내피세포의 이동 및 증식은 촉진하여 재내피화를 향상시킬 수 있다. 따라서, 본 발명의 에피디티오디옥소피페라진 화합물 또는 이의 유도체들은 혈관재협착의 예방 또는 치료를 위한 약학적 조성물로 유용하게 사용될 수 있다.